2-methyl-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]-4-(propanoylamino)benzoic acid

Systemtic Name: 2-methyl-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]-4-(propanoylamino)benzoic acid Openeye Name: 2-methyl-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]-4-(propanoylamino)benzoic acid CAS Name: 2-methyl-4-(1-oxopropylamino)-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]benzoic acid IUPAC Name: 2-methyl-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]-4-(propanoylamino)benzoic acid Traditional Name: 2-methyl-3-phenyl-5-[4-(3-phenylpropoxy)phenyl]-4-propionamido-benzoic acid Formula: C32H31NO4 MolecularWeight: 493.59284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C32H31NO4/c1-3-29(34)33-31-28(21-27(32(35)36)22(2)30(31)25-14-8-5-9-15-25)24-16-18-26(19-17-24)37-20-10-13-23-11-6-4-7-12-23/h4-9,11-12,14-19,21H,3,10,13,20H2,1-2H3,(H,33,34)(H,35,36)